UCSF

ZINC04829749

Substance Information

In ZINC since Heavy atoms Benign functionality
January 6th, 2006 25 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.64 9.04 -17.91 0 8 0 88 342.355 5
Mid Mid (pH 6-8) 1.64 9.53 -54.19 1 8 1 89 343.363 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )